(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine

C11H14F3N3O2 — CID 95551152

IUPAC(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)[C@@H]1CN(Cc2nnc(C3CC3)o2)CCO1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)8-5-17(3-4-18-8)6-9-15-16-10(19-9)7-1-2-7/h7-8H,1-6H2/t8-/m0/s1
InChIKeyPPZOHNJPFXUJGU-QMMMGPOBSA-N
MW277.25 g/mol
LogP1.71
Rot. Bonds3

About (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine

(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine (PubChem CID 95551152) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine
PubChem CID95551152
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)[C@@H]1CN(Cc2nnc(C3CC3)o2)CCO1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)8-5-17(3-4-18-8)6-9-15-16-10(19-9)7-1-2-7/h7-8H,1-6H2/t8-/m0/s1
InChIKeyPPZOHNJPFXUJGU-QMMMGPOBSA-N
XLogP1.71
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine (CID 95551152) is (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine is FC(F)(F)[C@@H]1CN(Cc2nnc(C3CC3)o2)CCO1.
What is the InChIKey of (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is PPZOHNJPFXUJGU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)8-5-17(3-4-18-8)6-9-15-16-10(19-9)7-1-2-7/h7-8H,1-6H2/t8-/m0/s1.
What are the key properties of (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine?
(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 277.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95551152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).